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Substance Name: Samatasvir [USAN:INN]
RN: 1312547-19-5
UNII: 21P699C5FC
InChIKey: ATOLIHZIXHZSBA-BTSKBWHGSA-N

Note

  • An antiviral agent that inhibits NS5A protein from hepatitis C virus.

Classification Code

  • Antiviral

Molecular Formula

  • C47-H48-N8-O6-S2

Molecular Weight

  • 885.0782
 
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Names and Synonyms

Name of Substance

  • Samatasvir [USAN:INN]

Synonyms

  • IDX 18719
  • IDX 719
  • IDX-719
  • IDX18719
  • IDX719
  • Methyl N-((1R)-2-((2S)-2-(5-(4-(6-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)pyrrolidin-2-yl)-3H-benzimidazol-5-yl)thieno(3,2-b)thiophen-3-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate
  • Samatasvir
  • UNII-21P699C5FC

Systematic Name

  • Carbamic acid, N-((1R)-2-((2S)-2-(5-(4-(6-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-1H-benzimidazol-6-yl)thieno(3,2-b)thien-3-yl)phenyl)-1H-imidazol-2-yl)-1-pyrrolidinyl)-2-oxo-1-phenylethyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 1312547-19-5

FDA UNII

  • 21P699C5FC

Other Registry Number

  • 1458063-70-1

System Generated Number

  • 1312547195

Structure Descriptors

InChI

1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1

InChIKey

ATOLIHZIXHZSBA-BTSKBWHGSA-N

Smiles

CC(C)[C@@H](C(=O)N1CCC[C@H]1c2[nH]c3ccc(cc3n2)c4csc5c4scc5c6ccc(cc6)c7c[nH]c(n7)[C@@H]8CCCN8C(=O)[C@@H](c9ccccc9)NC(=O)OC)NC(=O)OC